Os2C3
Alexandria ALEXAlex-ID: agm005505842 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_535_spg43
C Os
2023-03-19 17:20:22.531983
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505842).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005505842
data_agm005505842
_cell_length_a 7.50409
_cell_length_b 6.40543
_cell_length_c 5.58980
_cell_angle_alpha 77.11887
_cell_angle_beta 56.31613
_cell_angle_gamma 46.56500
_cell_volume 156.67371
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Os1 Os 0.71305 0.14454 0.95604 1.00000
Os2 Os 0.18638 0.95604 0.14454 1.00000
Os3 Os 0.29396 0.06362 0.53695 1.00000
Os4 Os 0.10546 0.53695 0.06362 1.00000
C1 C 0.68466 0.85786 0.18133 1.00000
C2 C 0.27614 0.18133 0.85786 1.00000
C3 C 0.06867 0.97386 0.56534 1.00000
C4 C 0.39214 0.56534 0.97386 1.00000
C5 C 0.13977 0.36023 0.36023 1.00000
C6 C 0.88977 0.11023 0.11023 1.00000
获取直接链接